2-[1-[4-(quinolin-6-ylcarbonylamino)phenyl]carbonylisoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(quinolin-6-ylcarbonylamino)phenyl]carbonylisoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(quinoline-6-carbonylamino)benzoyl]-4-isoquinolyl]acetic acid CAS Name: 2-[1-[oxo-[4-[[oxo(6-quinolinyl)methyl]amino]phenyl]methyl]-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[4-(quinoline-6-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid Traditional Name: 2-[1-[4-(quinoline-6-carbonylamino)benzoyl]-4-isoquinolyl]acetic acid Formula: C28H19N3O4 MolecularWeight: 461.46816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2C(=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=CC=C5)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2C(=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=CC=C5)CC(=O)O

InChI

InChI=1S/C28H19N3O4/c32-25(33)15-20-16-30-26(23-6-2-1-5-22(20)23)27(34)17-7-10-21(11-8-17)31-28(35)19-9-12-24-18(14-19)4-3-13-29-24/h1-14,16H,15H2,(H,31,35)(H,32,33)